Geometry & MOs

Info

ID:	56567
PubChem CID:	17436354
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	2.53
IP(EA), eV:	-9.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N(C)CCC#N

DOS

IR

Vibrations